(9z,11s,12z)-11-[(2r)-2-[[(4s)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanylperoxyoctadeca-9,12-dienoic acid
- Other Name: (9Z,11S,12Z)-11-[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanylperoxyoctadeca-9,12-dienoic acid
- InChIKey: VQJMATDSMKWHGW-CBSAECKWSA-N
- InChI: InChI=1S/C28H47N3O10S/c1-2-3-4-8-11-14-21(15-12-9-6-5-7-10-13-16-25(33)34)40-41-42-20-23(27(37)30-19-26(35)36)31-24(32)18-17-22(29)28(38)39/h11-12,14-15,21-23H,2-10,13,16-20,29H2,1H3,(H,30,37)(H,31,32)(H,33,34)(H,35,36)(H,38,39)/b14-11-,15-12-/t21-,22-,23-/m0/s1
- SMILES: CCCCC/C=C\[C@@H](/C=C\CCCCCCCC(=O)O)OOSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
- Exact Mass: 617.29822
- Molecular Formula: C28H47N3O10S
-
Compound CID:
154700030
154700030
Hidden Reactions Filter
Some biological reactions link very small precursors (e.g. CO₂, acetate) to much larger products.
These reactions are correct, but they can create unrealistic shortest paths and connect otherwise separate parts of the graph.
To keep the overview readable, FAIR-TPs hides six such reactions where a <60 Da precursor leads to a >300 Da product in the visualisations.
You can have all these paths in the download output.
You can have all these paths in the download output.
Hidden reaction pairs (precursor → product):
- Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamidoacetamide
- Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamido-n-methylacetamide
- Carbon dioxide → Formylmethanofuran
- Acrolein → Chembl3706542
- Ethylene oxide → Acetyl-coa
- Formaldehyde → S-hydroxymethylglutathione
Note: In the graph output, up to 100 compounds are displayed for faster visualization. For the full output, please use the export files.
Click on a node or edge to see details here.